SCHEMBL3500735

SCHEMBL3500735

O=[N+]([O-])c1ccc(S)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PDE7A Q13946 1/20 0.49
▸ F2 P00734 3/20 0.46
▸ PRSS1 P07477 3/20 0.46
▸ PRSS2 P07478 3/20 0.46
▸ PRSS3 P35030 3/20 0.46
▸ VCAM1 P19320 5/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9315890 0.85 TSHR (0.49) TSHRMAPK1CA1CA2MMP1
SCHEMBL4298089 0.83 VCAM1 (0.56) TSHRMAPK1TDP1VCAM1MAPT
SCHEMBL487215 0.78 TSHR (1.00) TSHRMAPK1CA1CA2MMP1
SCHEMBL3973969 0.78 TSHR (0.69) TSHRMAPK1CA1CA2MMP1
SCHEMBL29398960 0.78 TSHR (1.00) TSHRMAPK1CA1CA2MMP1
Fluoride SCHEMBL4646971 0.77 TSHR (0.96) TSHRMAPK1CA1CA2MMP1
SCHEMBL10521677 0.77 TSHR (0.67) TSHRMAPK1CA1CA2MMP1
SCHEMBL2859245 0.77 HSD17B10 (0.69) TSHRMAPK1CA1CA2MMP1
SCHEMBL1551981 0.75 TSHR (0.64) TSHRMAPK1CA1CA2MMP1
Potassium Ion SCHEMBL10830765 0.75 TSHR (0.64) TSHRMAPK1CA1CA2MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 — — US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 — — US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 — — US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 — — US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 — — US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 — — US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 — — US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 — — US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 — — US disclosed
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 — — US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 — — US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 — — US disclosed
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 — — EP disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 — — US disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 — — WO disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 — — US disclosed
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 — — EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 — — US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TSHR 2805/4885MAPK1 1855/4885CA1 4582/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TSHR 2805/4885MAPK1 1855/4885CA1 4582/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TSHR 2805/4885MAPK1 1855/4885CA1 4582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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